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. 2016 Sep 13;27(11):1855–1869. doi: 10.1007/s13361-016-1462-5

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© The Author(s) 2016

Open Access This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.

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Experimental IRMPD spectrum of AQ-17 (left panels, black) compared with computed spectra for structures 7.1 (two conformers in green and grey) and 8.1 (blue). The right panel shows the experimental IRMPD spectrum of AQ – 17 – 17 (black) along with the spectrum predicted for a structure having expelled NH₃ from the N-terminus of 7.1 with concomitant ring closure by nucleophilic attack of the succinimide oxygen onto the α-carbon of the Ala residue. Protonation sites are indicated with an arrow